(1R)-1,5-diphenylpent-2-yn-1-ol

C17H16O — CID 15880987

IUPAC(1R)-1,5-diphenylpent-2-yn-1-ol
SMILESO[C@@H](C#CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O/c18-17(16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-6,9-10,12-13,17-18H,7,11H2/t17-/m0/s1
InChIKeyQJAIPGWXZNYGOR-KRWDZBQOSA-N
MW236.31 g/mol
LogP3.36
Rot. Bonds3

About (1R)-1,5-diphenylpent-2-yn-1-ol

(1R)-1,5-diphenylpent-2-yn-1-ol (PubChem CID 15880987) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is (1R)-1,5-diphenylpent-2-yn-1-ol.

Molecular Properties

Compound Name(1R)-1,5-diphenylpent-2-yn-1-ol
PubChem CID15880987
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name(1R)-1,5-diphenylpent-2-yn-1-ol
SMILESO[C@@H](C#CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O/c18-17(16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-6,9-10,12-13,17-18H,7,11H2/t17-/m0/s1
InChIKeyQJAIPGWXZNYGOR-KRWDZBQOSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-2,4-dimethyl-8-phenyloct-5-yn-3-ol
CID 102598635
1,5-diphenylpent-2-yne-1,5-diol
CID 581819
(4R)-2,2-dimethyl-8-phenyloct-5-yn-4-ol
CID 15880988
8-phenyloct-4-yne-1,6-diol
CID 101480426
3-phenylprop-1-yne-1,3-diol
CID 67894112
6-phenyl-2-(trifluoromethyl)hex-3-ynoic acid
CID 118040278
(3S)-2-methyl-8-phenyloct-4-yn-3-ol
CID 11991329
7-phenylhepta-2,4-diyn-1-ol
CID 88731246
(5,6-dimethylidene-10-phenyldeca-3,7-diynyl)benzene
CID 154721237
1-phenyl-4-piperidin-1-ylbut-2-yn-1-ol
CID 2840251
5-phenylpent-2-yn-1-amine
CID 53412251
(1R)-1,3-diphenylpropan-1-ol
CID 11845542

Frequently Asked Questions

What is the IUPAC name of (1R)-1,5-diphenylpent-2-yn-1-ol?
The IUPAC name of (1R)-1,5-diphenylpent-2-yn-1-ol (CID 15880987) is (1R)-1,5-diphenylpent-2-yn-1-ol.
What is the SMILES notation for (1R)-1,5-diphenylpent-2-yn-1-ol?
The canonical SMILES for (1R)-1,5-diphenylpent-2-yn-1-ol is O[C@@H](C#CCCc1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-1,5-diphenylpent-2-yn-1-ol?
The InChIKey is QJAIPGWXZNYGOR-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16O/c18-17(16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-6,9-10,12-13,17-18H,7,11H2/t17-/m0/s1.
What are the key properties of (1R)-1,5-diphenylpent-2-yn-1-ol?
(1R)-1,5-diphenylpent-2-yn-1-ol has a molecular weight of 236.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,5-diphenylpent-2-yn-1-ol is sourced from PubChem (CID 15880987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).